O atom: Difference between revisions
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*INCAR | *{{TAG|INCAR}} | ||
SYSTEM = O atom in a box | SYSTEM = O atom in a box | ||
ISMEAR = 0 ! Gaussian smearing | ISMEAR = 0 ! Gaussian smearing | ||
*KPOINTS | *{{TAG|KPOINTS}} | ||
Gamma-point only | Gamma-point only | ||
0 | 0 | ||
| Line 10: | Line 10: | ||
0 0 0 | 0 0 0 | ||
*POSCAR | *{{TAG|POSCAR}} | ||
O atom in a box | O atom in a box | ||
1.0 ! universal scaling parameters | 1.0 ! universal scaling parameters | ||
| Line 20: | Line 20: | ||
0 0 0 | 0 0 0 | ||
== Used Tags == | == Used INCAR Tags == | ||
{{TAG|SYSTEM}}, {{TAG|ISMEAR}} | {{TAG|SYSTEM}}, {{TAG|ISMEAR}} | ||
Revision as of 09:56, 16 February 2017
SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing
Gamma-point only 0 Monkhorst Pack 1 1 1 0 0 0
O atom in a box 1.0 ! universal scaling parameters 8.0 0.0 0.0 ! lattice vector a(1) 0.0 8.0 0.0 ! lattice vector a(2) 0.0 0.0 8.0 ! lattice vector a(3) 1 ! number of atoms cart ! positions in cartesian coordinates 0 0 0
Used INCAR Tags
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